| AVS 63rd International Symposium & Exhibition | |
| Actinides and Rare Earths Focus Topic | Wednesday Sessions |
| Session AC+MI-WeM |
| Session: | Magnetism, Complexity, and Superconductivity in the Actinides and Rare Earths (8:00-11:00 am)/Actinide and Rare Earth Theory (11:00 am-12:20 pm) |
| Presenter: | Leon Petit, Daresbury Laboratory, UK |
| Authors: | L. Petit, Daresbury Laboratory, UK D. Paudyal, Ames Laboratory, Iowa State University Y. Mudryk, Ames Laboratory, Iowa State University K.A. Gschneidner, Ames Laboratory, Iowa State University V.K. Pecharsky, Ames Laboratory, Iowa State University M. Lueders, Daresbury Laboratory, UK Z. Szotek, Daresbury Laboratory, UK J.B. Staunton, Warwick University, United Kingdom of Great Britain and Northern Ireland |
| Correspondent: | Click to Email |
Using an ab-initio electronic structure theory which includes disordered local moments and strong f-electron correlations, we have investigated the magnetic ordering and critical temperatures of Gd-intermetallics.1 The theory correctly finds GdZn and GdCd to be simple ferromagnets and predicts a remarkably large increase of Curie temperature with pressure (+1.5 K kbar-1) for GdCd, confirmed by our experimental measurements . In our calculations for GdMg, a transition from ferromagnetic to AF1 is observed with increasing pressure, whilst a canted magnetic state is seen to emerge from either the ferromagnetic or anti-ferromagnetic state with lowering the temperature. Replacing 35% of the Mg atoms with Zn removes this transition, in excellent agreement with long-standing experimental data. We conclude that despite being filled and situated at low binding energies, the non-lanthanide metal d-states strongly influence the electronic structure at the Fermi level as well as the magnetic ordering.
1 L. Petit, D. Paudyal, Y. Mudryk, K. A. Gschneidner, Jr., V. K. Pecharsky, M. Lueders, Z. Szotek, R. Banerjee, and J. B. Staunton, Phys. Rev. Lett 115, 207201 (2015)